N-[3-(3-chlorophenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-chlorophenyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CCCN4C=CC=N4

InChI

InChI=1S/C24H27ClN4O/c25-22-7-1-5-20(17-22)21-6-2-8-23(18-21)27-24(30)19-9-15-28(16-10-19)12-4-14-29-13-3-11-26-29/h1-3,5-8,11,13,17-19H,4,9-10,12,14-16H2,(H,27,30)/p+1